5'-CHLORO-2'-HYDROXY-4'-METHYLACETOPHENONE

The Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)-, with the CAS registry number 28480-70-8, is also known as 5-Chloro-2-hydroxy-4-methylacetophenone. It belongs to the product categories of Aromatic Acetophenones & Derivatives (substituted); C₉; Carbonyl Compounds; Ketones. This chemical's molecular formula is C₉H₉ClO₂ and formula weight is 184.62. What's more, its systematic name is 1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone. It should be sealed and stored in ventilated, cool and dry places.

Physical properties of Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/BCF (pH 5.5): 331; (5)ACD/BCF (pH 7.4): 329.82; (6)ACD/KOC (pH 5.5): 2214.57; (7)ACD/KOC (pH 7.4): 2206.73; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 47.88 cm³; (14)Molar Volume: 147.6 cm³; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.25 g/cm³; (17)Flash Point: 132.2 °C; (18)Enthalpy of Vaporization: 55.61 kJ/mol; (19)Boiling Point: 295 °C at 760 mmHg; (20)Vapour Pressure: 0.000889 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(5-chloro-2-hydroxy-4-methyl-phenyl)-ethanone oxime by heating. This reaction will need reagent NaBO₃·4H₂O and solvent acetic acid with the reaction time of 5 hours. It's a reaction of deoximation. The yield is about 75%.

Uses of Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)-: it can be used to produce 3-acetyl-6-chloro-2,7-dimethyl-chromen-4-one at the temperature of 160°C. It will need reagent sodium acetate with the reaction time of 12 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(O)cc1C)C(=O)C
(2)InChI: InChI=1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
(3)InChIKey: HDUSGGZSLVCDKY-UHFFFAOYSA-N